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Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation

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Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis
E-mail: truhlar@umn.edu
Phys. Chem. Chem. Phys., 2011,13, 10885-10907

DOI: 10.1039/C0CP02644A
Received 23 Nov 2010, Accepted 11 Feb 2011
First published online 11 May 2011
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